N-[(1S,5S)-8-[(2,4-dimethoxyphenyl)methyl]-8-azabicyclo[3.2.1]octan-3-yl]-3,5-bis(trifluoromethyl)benzamide

C25H26F6N2O3 — CID 98185698

IUPACN-[(1S,5S)-8-[(2,4-dimethoxyphenyl)methyl]-8-azabicyclo[3.2.1]octan-3-yl]-3,5-bis(trifluoromethyl)benzamide
SMILESCOc1ccc(CN2[C@H]3CC[C@H]2CC(NC(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C3)c(OC)c1
InChIInChI=1S/C25H26F6N2O3/c1-35-21-6-3-14(22(12-21)36-2)13-33-19-4-5-20(33)11-18(10-19)32-23(34)15-7-16(24(26,27)28)9-17(8-15)25(29,30)31/h3,6-9,12,18-20H,4-5,10-11,13H2,1-2H3,(H,32,34)/t19-,20-/m0/s1
InChIKeyOUOPZCYWXLPHBV-PMACEKPBSA-N
MW516.48 g/mol
LogP5.67
Rot. Bonds6

About N-[(1S,5S)-8-[(2,4-dimethoxyphenyl)methyl]-8-azabicyclo[3.2.1]octan-3-yl]-3,5-bis(trifluoromethyl)benzamide

N-[(1S,5S)-8-[(2,4-dimethoxyphenyl)methyl]-8-azabicyclo[3.2.1]octan-3-yl]-3,5-bis(trifluoromethyl)benzamide (PubChem CID 98185698) has the molecular formula C25H26F6N2O3 and a molecular weight of 516.48 g/mol. Its IUPAC name is N-[(1S,5S)-8-[(2,4-dimethoxyphenyl)methyl]-8-azabicyclo[3.2.1]octan-3-yl]-3,5-bis(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[(1S,5S)-8-[(2,4-dimethoxyphenyl)methyl]-8-azabicyclo[3.2.1]octan-3-yl]-3,5-bis(trifluoromethyl)benzamide
PubChem CID98185698
Molecular FormulaC25H26F6N2O3
Molecular Weight516.48 g/mol
Exact Mass516.18
IUPAC NameN-[(1S,5S)-8-[(2,4-dimethoxyphenyl)methyl]-8-azabicyclo[3.2.1]octan-3-yl]-3,5-bis(trifluoromethyl)benzamide
SMILESCOc1ccc(CN2[C@H]3CC[C@H]2CC(NC(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C3)c(OC)c1
InChIInChI=1S/C25H26F6N2O3/c1-35-21-6-3-14(22(12-21)36-2)13-33-19-4-5-20(33)11-18(10-19)32-23(34)15-7-16(24(26,27)28)9-17(8-15)25(29,30)31/h3,6-9,12,18-20H,4-5,10-11,13H2,1-2H3,(H,32,34)/t19-,20-/m0/s1
InChIKeyOUOPZCYWXLPHBV-PMACEKPBSA-N
XLogP5.67
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500516.48
LogP ≤ 55.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(1S,5S)-8-[(2,4-dimethoxyphenyl)methyl]-8-azabicyclo[3.2.1]octan-3-yl]-3,5-bis(trifluoromethyl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[8-[(2,4-dimethoxyphenyl)methyl]-8-azabicyclo[3.2.1]octan-3-yl]-3-methylbenzamide
CID 45144897
N-[8-[(2,4-dimethoxyphenyl)methyl]-8-azabicyclo[3.2.1]octan-3-yl]naphthalene-1-carboxamide
CID 45144915
N-[[4-[(2,4-dimethoxyphenyl)methylamino]cyclohexyl]methyl]-3-methyl-5-(trifluoromethyl)benzamide
CID 70940266
N-[8-(2,4-dimethoxybenzoyl)-8-azabicyclo[3.2.1]octan-3-yl]-4-fluorobenzamide
CID 156610369
3-chloro-N-[9-[(2-methoxyphenyl)methyl]-9-azabicyclo[3.3.1]nonan-3-yl]benzamide
CID 3218228
3-chloro-N-[(1S,5S)-9-[(2-methoxyphenyl)methyl]-9-azabicyclo[3.3.1]nonan-3-yl]benzamide
CID 1467226
N-[2-(2,4-dimethoxyphenyl)ethyl]-4-(trifluoromethyl)benzamide
CID 110601493
3,4,5-trimethoxy-N-[9-[(6-methoxy-1,3-benzothiazol-2-yl)methyl]-9-azabicyclo[3.3.1]nonan-3-yl]benzamide
CID 155574211
2-methoxy-N-[(1R,5R)-9-[(2-methoxyphenyl)methyl]-9-azabicyclo[3.3.1]nonan-3-yl]benzamide
CID 98110383
N-(1-cyclopropylpiperidin-4-yl)-3,5-bis(trifluoromethyl)benzamide
CID 46548552
4-methoxy-N-[(1R,5R)-9-[(4-methylphenyl)methyl]-9-azabicyclo[3.3.1]nonan-3-yl]benzamide
CID 1467032
2-fluoro-N-[9-[(2-methoxyphenyl)methyl]-9-azabicyclo[3.3.1]nonan-3-yl]benzamide
CID 43813977

Frequently Asked Questions

What is the IUPAC name of N-[(1S,5S)-8-[(2,4-dimethoxyphenyl)methyl]-8-azabicyclo[3.2.1]octan-3-yl]-3,5-bis(trifluoromethyl)benzamide?
The IUPAC name of N-[(1S,5S)-8-[(2,4-dimethoxyphenyl)methyl]-8-azabicyclo[3.2.1]octan-3-yl]-3,5-bis(trifluoromethyl)benzamide (CID 98185698) is N-[(1S,5S)-8-[(2,4-dimethoxyphenyl)methyl]-8-azabicyclo[3.2.1]octan-3-yl]-3,5-bis(trifluoromethyl)benzamide.
What is the SMILES notation for N-[(1S,5S)-8-[(2,4-dimethoxyphenyl)methyl]-8-azabicyclo[3.2.1]octan-3-yl]-3,5-bis(trifluoromethyl)benzamide?
The canonical SMILES for N-[(1S,5S)-8-[(2,4-dimethoxyphenyl)methyl]-8-azabicyclo[3.2.1]octan-3-yl]-3,5-bis(trifluoromethyl)benzamide is COc1ccc(CN2[C@H]3CC[C@H]2CC(NC(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C3)c(OC)c1.
What is the InChIKey of N-[(1S,5S)-8-[(2,4-dimethoxyphenyl)methyl]-8-azabicyclo[3.2.1]octan-3-yl]-3,5-bis(trifluoromethyl)benzamide?
The InChIKey is OUOPZCYWXLPHBV-PMACEKPBSA-N. The full InChI is InChI=1S/C25H26F6N2O3/c1-35-21-6-3-14(22(12-21)36-2)13-33-19-4-5-20(33)11-18(10-19)32-23(34)15-7-16(24(26,27)28)9-17(8-15)25(29,30)31/h3,6-9,12,18-20H,4-5,10-11,13H2,1-2H3,(H,32,34)/t19-,20-/m0/s1.
What are the key properties of N-[(1S,5S)-8-[(2,4-dimethoxyphenyl)methyl]-8-azabicyclo[3.2.1]octan-3-yl]-3,5-bis(trifluoromethyl)benzamide?
N-[(1S,5S)-8-[(2,4-dimethoxyphenyl)methyl]-8-azabicyclo[3.2.1]octan-3-yl]-3,5-bis(trifluoromethyl)benzamide has a molecular weight of 516.48 g/mol, XLogP of 5.67, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,5S)-8-[(2,4-dimethoxyphenyl)methyl]-8-azabicyclo[3.2.1]octan-3-yl]-3,5-bis(trifluoromethyl)benzamide is sourced from PubChem (CID 98185698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).